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| | 2-BROMO-5-CHLOROBENZYL ALCOHOL Basic information |
| | 2-BROMO-5-CHLOROBENZYL ALCOHOL Chemical Properties |
| Melting point | 81-83°C | | Boiling point | 290℃ | | density | 1.685 | | Fp | 129℃ | | storage temp. | Sealed in dry,Room Temperature | | pka | 13.67±0.10(Predicted) | | form | solid | | InChI | 1S/C7H6BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2 | | InChIKey | YOLUSOFTODTRQV-UHFFFAOYSA-N | | SMILES | OCC1=CC(Cl)=CC=C1Br |
| Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 2-BROMO-5-CHLOROBENZYL ALCOHOL Usage And Synthesis |
| Uses | 2-Bromo-5-chlorobenzyl Alcohol is used to prepare fluorodihydrohydroxy benzoxaborole for potential treatment of onychomycosis. It is also an intermediate used to synthesize morpholylureas as potent and selective inhibitors of AKR1C3. | | Synthesis | Under nitrogen protection, 2-bromo-5-chlorobenzoic acid (17-1, 5.0 g, 21.23 mmol) was dissolved in BH3/THF solution (1 M, 85 mL) at a controlled temperature of 10 °C. After the addition was completed, the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, methanol (30 mL) was added slowly at 0 °C to quench the reaction, after which the mixture was concentrated to dryness. The resulting residue was dissolved in methanol (100 mL) and concentrated again to dryness. This dissolution-concentration procedure was repeated twice to give 2-bromo-5-chlorobenzenemethanol (17-2) as a white solid (4.7 g, quantitative yield). | | References | [1] Patent: US9138427, 2015, B2. Location in patent: Page/Page column 295
[2] Patent: WO2012/131588, 2012, A1. Location in patent: Page/Page column 96; 108
[3] Chemical Communications, 2018, vol. 54, # 20, p. 2467 - 2470
[4] Journal of Medicinal Chemistry, 2006, vol. 49, # 15, p. 4447 - 4450
[5] Patent: US2007/265226, 2007, A1. Location in patent: Page/Page column 58 |
| | 2-BROMO-5-CHLOROBENZYL ALCOHOL Preparation Products And Raw materials |
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